BMRB: 15601

Chemical shift assignments for Atra-PBP1

Authors

Ames, J.

Assembly

Atra-PBP1

Entity

1. Atra-PBP1 (polymer, Thiol state: all free), 142 monomers, 16072.37 Da Detail

SPEIMKDLSI NFGKALDTCK KELDLPDSIN EDFYKFWKED YEITNRLTGC AIKCLSEKLE MVDADGKLHH GNAREFAMKH GADDAMAKQL VDLIHGCEKS IPPNDDRCME VLSIAMCFKK EIHNLKWAPN MEVVVGEVLA EV

Formula weight

16072.37 Da

Source organism

Antheraea polyphemus

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 65.2 %, Completeness (bb): 96.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	65.2 % (1082 of 1660)	59.8 % (518 of 866)	66.3 % (429 of 647)	91.8 % (135 of 147)
Backbone	96.6 % (813 of 842)	95.1 % (272 of 286)	96.9 % (406 of 419)	98.5 % (135 of 137)
Sidechain	42.4 % (404 of 953)	42.6 % (247 of 580)	43.3 % (157 of 363)	0.0 % (0 of 10)
Aromatic	5.5 % (6 of 110)	7.3 % (4 of 55)	3.8 % (2 of 53)	0.0 % (0 of 2)
Methyl	30.4 % (45 of 148)	35.1 % (26 of 74)	25.7 % (19 of 74)

1. Atra-PBP1

SPEIMKDLSI NFGKALDTCK KELDLPDSIN EDFYKFWKED YEITNRLTGC AIKCLSEKLE MVDADGKLHH GNAREFAMKH GADDAMAKQL VDLIHGCEKS IPPNDDRCME VLSIAMCFKK EIHNLKWAPN MEVVVGEVLA EV

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Atra-PBP1	[U-100% 13C; U-100% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O			95 %

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LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 4 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 4 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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LACS Plot; HA

Referencing offset: 0.08 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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LACS Plot; CO

Referencing offset: -0.19 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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Protein Blocks Logo

Calculated from 10 models in PDB: 2KPH, Strand ID: A Detail

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Release date

2008-06-04

Citation

1H, 15N, and 13C Chemical shift assignments of the navel orange worm pheromone-binding protein-1 (Atra-PBP1)
Xu, X., Li, Y., Rayo, J., Ishida, Y., Leal, W., Ames, J.B.
Biomol. NMR Assign. (2008), 2, 105-106, PubMed 19636880 , DOI 10.1007/s12104-008-9096-6 , Abstract

Related entities 1. Atra-PBP1, : 1 : 2 : 46 entities Detail

Experiments performed 7 experiments Detail